N-[5-(2,4-dimethylphenyl)-1,3,4-thiadiazol-2-yl]thiophene-2-carboxamide

C15H13N3OS2 — CID 48585499

IUPACN-[5-(2,4-dimethylphenyl)-1,3,4-thiadiazol-2-yl]thiophene-2-carboxamide
SMILESCc1ccc(-c2nnc(NC(=O)c3cccs3)s2)c(C)c1
InChIInChI=1S/C15H13N3OS2/c1-9-5-6-11(10(2)8-9)14-17-18-15(21-14)16-13(19)12-4-3-7-20-12/h3-8H,1-2H3,(H,16,18,19)
InChIKeyCTTJEPSCBGRSJZ-UHFFFAOYSA-N
MW315.42 g/mol
LogP4.14
Rot. Bonds3

About N-[5-(2,4-dimethylphenyl)-1,3,4-thiadiazol-2-yl]thiophene-2-carboxamide

N-[5-(2,4-dimethylphenyl)-1,3,4-thiadiazol-2-yl]thiophene-2-carboxamide (PubChem CID 48585499) has the molecular formula C15H13N3OS2 and a molecular weight of 315.42 g/mol. Its IUPAC name is N-[5-(2,4-dimethylphenyl)-1,3,4-thiadiazol-2-yl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[5-(2,4-dimethylphenyl)-1,3,4-thiadiazol-2-yl]thiophene-2-carboxamide
PubChem CID48585499
Molecular FormulaC15H13N3OS2
Molecular Weight315.42 g/mol
Exact Mass315.05
IUPAC NameN-[5-(2,4-dimethylphenyl)-1,3,4-thiadiazol-2-yl]thiophene-2-carboxamide
SMILESCc1ccc(-c2nnc(NC(=O)c3cccs3)s2)c(C)c1
InChIInChI=1S/C15H13N3OS2/c1-9-5-6-11(10(2)8-9)14-17-18-15(21-14)16-13(19)12-4-3-7-20-12/h3-8H,1-2H3,(H,16,18,19)
InChIKeyCTTJEPSCBGRSJZ-UHFFFAOYSA-N
XLogP4.14
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]thiophene-2-carboxamide
CID 4191915
N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide
CID 1080987
2,5-dichloro-N-[5-(2,4-dimethylphenyl)-1,3,4-thiadiazol-2-yl]pyridine-4-carboxamide
CID 99626923
N-[5-(2,4-dimethylphenyl)-1,3,4-thiadiazol-2-yl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide
CID 86852024
N-[2-chloro-5-[[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]carbamoyl]phenyl]thiophene-2-carboxamide
CID 60576136
N-(2,5-dimethylphenyl)thiophene-2-carboxamide;ethane
CID 143815290
N-[(2R)-3-methyl-1-[[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]amino]-1-oxobutan-2-yl]thiophene-2-carboxamide
CID 7399918
2,4-dimethyl-N-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 100644344
N-(5,6-dimethyl-1,3-benzothiazol-2-yl)thiophene-2-carboxamide
CID 7524846
N-[5-(2,2-dimethylpropyl)-1,3,4-thiadiazol-2-yl]thiophene-2-carboxamide
CID 795327
N-[5-(2,4-dimethylphenyl)-1,3,4-thiadiazol-2-yl]-1-ethylbenzotriazole-5-carboxamide
CID 48585600
N-[5-(2,4-dimethylphenyl)-1,3,4-thiadiazol-2-yl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
CID 48599164

Frequently Asked Questions

What is the IUPAC name of N-[5-(2,4-dimethylphenyl)-1,3,4-thiadiazol-2-yl]thiophene-2-carboxamide?
The IUPAC name of N-[5-(2,4-dimethylphenyl)-1,3,4-thiadiazol-2-yl]thiophene-2-carboxamide (CID 48585499) is N-[5-(2,4-dimethylphenyl)-1,3,4-thiadiazol-2-yl]thiophene-2-carboxamide.
What is the SMILES notation for N-[5-(2,4-dimethylphenyl)-1,3,4-thiadiazol-2-yl]thiophene-2-carboxamide?
The canonical SMILES for N-[5-(2,4-dimethylphenyl)-1,3,4-thiadiazol-2-yl]thiophene-2-carboxamide is Cc1ccc(-c2nnc(NC(=O)c3cccs3)s2)c(C)c1.
What is the InChIKey of N-[5-(2,4-dimethylphenyl)-1,3,4-thiadiazol-2-yl]thiophene-2-carboxamide?
The InChIKey is CTTJEPSCBGRSJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3OS2/c1-9-5-6-11(10(2)8-9)14-17-18-15(21-14)16-13(19)12-4-3-7-20-12/h3-8H,1-2H3,(H,16,18,19).
What are the key properties of N-[5-(2,4-dimethylphenyl)-1,3,4-thiadiazol-2-yl]thiophene-2-carboxamide?
N-[5-(2,4-dimethylphenyl)-1,3,4-thiadiazol-2-yl]thiophene-2-carboxamide has a molecular weight of 315.42 g/mol, XLogP of 4.14, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2,4-dimethylphenyl)-1,3,4-thiadiazol-2-yl]thiophene-2-carboxamide is sourced from PubChem (CID 48585499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).